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Summary Geometry Related PDB entries

EQD

Summary

Name:	5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol
Formula:	C18 H16 Cl2 N2 O2
Formal charge:	0
Formula weight:	363.238 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol
OpenEye OEToolkits	2.0.6	4,6-bis(chloranyl)-5-[2-[1-(phenylmethyl)imidazol-2-yl]ethyl]benzene-1,3-diol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3(Cl)c(CCc1n(ccn1)Cc2ccccc2)c(Cl)c(cc3O)O
InChI	InChI	1.03	InChI=1S/C18H16Cl2N2O2/c19-17-13(18(20)15(24)10-14(17)23)6-7-16-21-8-9-22(16)11-12-4-2-1-3-5-12/h1-5,8-10,23-24H,6-7,11H2
InChIKey	InChI	1.03	VJODJXMSNZNVSM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cc(O)c(Cl)c(CCc2nccn2Cc3ccccc3)c1Cl
SMILES	CACTVS	3.385	Oc1cc(O)c(Cl)c(CCc2nccn2Cc3ccccc3)c1Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1ccc(cc1)Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)Cl
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)Cl

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